CID 2760771

3-(trifluoromethyl)phenyltrimethylammonium bromide

Structural Information

Molecular Formula

C₁₀H₁₃F₃N

SMILES

C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C10H13F3N/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13/h4-7H,1-3H3/q+1

InChIKey

ZLBCBMSHZLXLQF-UHFFFAOYSA-N

Compound name

trimethyl-[3-(trifluoromethyl)phenyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2954
Patents: 204.1 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.10728	136.9
[M+Na]+	227.08922	145.4
[M-H]-	203.09272	138.7
[M+NH4]+	222.13382	156.7
[M+K]+	243.06316	138.1
[M+H-H2O]+	187.09726	132.1
[M+HCOO]-	249.09820	156.9
[M+CH3COO]-	263.11385	184.9
[M+Na-2H]-	225.07467	146.8
[M]+	204.09945	132.3
[M]-	204.10055	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe